"chemical foundation models" Papers

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BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models

Evan Antoniuk, Shehtab Zaman, Tal Ben-Nun et al.

NEURIPS 2025arXiv:2505.01912
7
citations

ChemPile: A 250 GB Diverse and Curated Dataset for Chemical Foundation Models

Adrian Mirza, Nawaf Alampara, Martiño Ríos-García et al.

NEURIPS 2025
5
citations